CID 3048205

Pyrrolidinium, 1,2'-hexamethylenebis(1,2-dimethyl-

Structural Information

Molecular Formula
C18H37N2
SMILES
CC1CCC(N1C)CCCCCC[N+]2(CCCC2C)C
InChI
InChI=1S/C18H37N2/c1-16-12-13-18(19(16)3)11-7-5-6-8-14-20(4)15-9-10-17(20)2/h16-18H,5-15H2,1-4H3/q+1
InChIKey
GHVVWIYVRNCVEQ-UHFFFAOYSA-N
Compound name
2-[6-(1,2-dimethylpyrrolidin-1-ium-1-yl)hexyl]-1,5-dimethylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.2957 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.30298 173.5
[M+Na]+ 304.28492 177.7
[M-H]- 280.28842 176.4
[M+NH4]+ 299.32952 192.6
[M+K]+ 320.25886 168.8
[M+H-H2O]+ 264.29296 168.7
[M+HCOO]- 326.29390 189.3
[M+CH3COO]- 340.30955 197.6
[M+Na-2H]- 302.27037 172.1
[M]+ 281.29515 170.5
[M]- 281.29625 170.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.